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CS-W001157 4
Total: USD 88.00

3,4,5-Trifluorobenzoic acid

  • CAS No. 121602-93-5

  • Cat. No. CS-W001340
  • Purity≥98%
  • MDL No.MFCD00074962

*For research and further manufacturing use only, not for direct human use.

3,4,5-Trifluorobenzoic acid|CS-W001340

Structure of 121602-93-5

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General Information

  • CAS No. 121602-93-5
  • Cat. No. CS-W001340
  • Purity ≥98%
  • MDL No. MFCD00074962
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃F₃O₂
  • Molecular Weight 176.09
  • Synonym(s) 3,4,5-trifluorobenzoate
  • SMILES FC1=C(F)C(F)=CC(C(O)=O)=C1

Description

3,4,5-Trifluorobenzoic acid may be used in chemical synthesis.

Application

3,4,5-Trifluorobenzoic acid serves as a versatile building block in medicinal chemistry and materials science, offering enhanced metabolic stability and modulated lipophilicity due to its three fluorine substituents. The carboxylic acid functionality enables straightforward derivatization via amide, ester, or acyl chloride formation, facilitating incorporation into pharmaceutical candidates and functional polymers. Its high bench stability and clean crystallinity simplify handling and purification in standard synthetic workflows.

Synthesis

  • Route1
    • null|null
      124-38-9
    • In-stock
      1-Bromo-3,4,5-trifluorobenzene|CS-W015081
      138526-69-9
    • ~93%
    • In-stock
      3,4,5-Trifluorobenzoic acid|CS-W001340
      121602-93-5

    References

    • European Journal of Organic Chemistry, , # 3 p. 447 - 451
  • Route2
    • null|null
      1489-53-8
    • ~%
    • In-stock
      3,4,5-Trifluorobenzoic acid|CS-W001340
      121602-93-5

    References

    • European Journal of Organic Chemistry, , # 3 p. 447 - 451
  • Route3

    References

    • European Journal of Organic Chemistry, , # 3 p. 447 - 451

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.8021
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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